1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one

C18H24N4O4 — CID 55917833

IUPAC1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCOc2ccc(NCC(=O)N3CCNC3=O)cc21
InChIInChI=1S/C18H24N4O4/c1-18(2,3)16(24)21-8-9-26-14-5-4-12(10-13(14)21)20-11-15(23)22-7-6-19-17(22)25/h4-5,10,20H,6-9,11H2,1-3H3,(H,19,25)
InChIKeyMMKKDKQDINNSJX-UHFFFAOYSA-N
MW360.41 g/mol
LogP1.42
Rot. Bonds3

About 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one

1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one (PubChem CID 55917833) has the molecular formula C18H24N4O4 and a molecular weight of 360.41 g/mol. Its IUPAC name is 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one
PubChem CID55917833
Molecular FormulaC18H24N4O4
Molecular Weight360.41 g/mol
Exact Mass360.18
IUPAC Name1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one
SMILESCC(C)(C)C(=O)N1CCOc2ccc(NCC(=O)N3CCNC3=O)cc21
InChIInChI=1S/C18H24N4O4/c1-18(2,3)16(24)21-8-9-26-14-5-4-12(10-13(14)21)20-11-15(23)22-7-6-19-17(22)25/h4-5,10,20H,6-9,11H2,1-3H3,(H,19,25)
InChIKeyMMKKDKQDINNSJX-UHFFFAOYSA-N
XLogP1.42
TPSA90.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

Analyze 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one (CID 55917833) is 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one is CC(C)(C)C(=O)N1CCOc2ccc(NCC(=O)N3CCNC3=O)cc21.
What is the InChIKey of 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one?
The InChIKey is MMKKDKQDINNSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O4/c1-18(2,3)16(24)21-8-9-26-14-5-4-12(10-13(14)21)20-11-15(23)22-7-6-19-17(22)25/h4-5,10,20H,6-9,11H2,1-3H3,(H,19,25).
What are the key properties of 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one?
1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one has a molecular weight of 360.41 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(2,2-dimethylpropanoyl)-2,3-dihydro-1,4-benzoxazin-6-yl]amino]acetyl]imidazolidin-2-one is sourced from PubChem (CID 55917833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).